N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]ethyl]pyridine-2-carboxamide

Systemtic Name: N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]ethyl]pyridine-2-carboxamide Openeye Name: N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(3-thienylmethyl)piperidin-1-ium-4-yl]ethyl]pyridine-2-carboxamide CAS Name: N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(3-thiophenylmethyl)-4-piperidin-1-iumyl]ethyl]-2-pyridinecarboxamide IUPAC Name: N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(thiophen-3-ylmethyl)piperidin-1-ium-4-yl]ethyl]pyridine-2-carboxamide Traditional Name: N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(3-thenyl)piperidin-1-ium-4-yl]ethyl]picolinamide Formula: C27H32N3OS+ MolecularWeight: 446.62748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C(CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CSC=C4)C(=O)C5=CC=CC=N5

Isomeric SMILES

C1CC1N([C@H](CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CSC=C4)C(=O)C5=CC=CC=N5

InChI

InChI=1S/C27H31N3OS/c31-27(25-8-4-5-14-28-25)30(24-9-10-24)26(18-21-6-2-1-3-7-21)23-11-15-29(16-12-23)19-22-13-17-32-20-22/h1-8,13-14,17,20,23-24,26H,9-12,15-16,18-19H2/p+1/t26-/m1/s1